AIMC Topic: Drug Discovery

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Role of Artificial Intelligence in Drug Discovery and Target Identification in Cancer.

Current drug delivery Jan 1, 2024
Drug discovery and development (DDD) is a highly complex process that necessitates precise monitoring and extensive data analysis at each stage. Furthermore, the DDD process is both timeconsuming and costly. To tackle these concerns, artificial intel...
Drug Discovery Antineoplastic Agents Neoplasms Humans Artificial Intelligence Machine Learning
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Graph-DTI: A New Model for Drug-target Interaction Prediction Based on Heterogenous Network Graph Embedding.

Current computer-aided drug design Jan 1, 2024
BACKGROUND: In this study, we aimed to develop a new end-to-end learning model called Graph-Drug-Target Interaction (DTI), which integrates various types of information in the heterogeneous network data, and to explore automatic learning of the topol...
Machine Learning Algorithms Humans Neural Networks, Computer Databases, Protein Pharmaceutical Preparations Drug Interactions Drug Discovery Databases, Pharmaceutical Protein Interaction Maps Proteins
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Exploring Scoring Function Space: Developing Computational Models for Drug Discovery.

Current medicinal chemistry Jan 1, 2024
BACKGROUND: The idea of scoring function space established a systems-level approach to address the development of models to predict the affinity of drug molecules by those interested in drug discovery.
Machine Learning Drug Discovery Humans Pharmaceutical Preparations Ligands Protein Binding Proteins
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DrugGen: a database of de novo-generated molecular binders for specified target proteins.

Database : the journal of biological databases and curation Dec 27, 2023
De novo molecular generation is a promising approach to drug discovery, building novel molecules from the scratch that can bind the target proteins specifically. With the increasing availability of machine learning algorithms and computational power,...
Databases, Factual Drug Design Drug Discovery Artificial Intelligence Proteins Algorithms
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The company landscape for artificial intelligence in large-molecule drug discovery.

Nature reviews. Drug discovery Dec 1, 2023
Drug Discovery Artificial Intelligence Drug Design Humans
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Attention is all you need: utilizing attention in AI-enabled drug discovery.

Briefings in bioinformatics Nov 22, 2023
Recently, attention mechanism and derived models have gained significant traction in drug development due to their outstanding performance and interpretability in handling complex data structures. This review offers an in-depth exploration of the pri...
Drug Discovery Artificial Intelligence Drug Development Data Accuracy
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BatmanNet: bi-branch masked graph transformer autoencoder for molecular representation.

Briefings in bioinformatics Nov 22, 2023
Although substantial efforts have been made using graph neural networks (GNNs) for artificial intelligence (AI)-driven drug discovery, effective molecular representation learning remains an open challenge, especially in the case of insufficient label...
Neural Networks, Computer Artificial Intelligence Drug Discovery Drug Delivery Systems
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Upswing in AI drug-discovery deals.

Nature biotechnology Oct 1, 2023
Drug Discovery Artificial Intelligence
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AI's potential to accelerate drug discovery needs a reality check.

Nature Oct 1, 2023
Reproducibility of Results Drug Discovery Humans Artificial Intelligence Clinical Trials as Topic Uncertainty
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AlphaFold touted as next big thing for drug discovery - but is it?

Nature Oct 1, 2023
Uncertainty Humans Drug Industry Machine Learning Protein Conformation Drug Discovery
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